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17954-81-3 | Benzaldehyde, 4-(3-bromopropoxy)-
CAS No: 17954-81-3 Catalog No: AG002735 MDL No:MFCD08447768
Product Description
Catalog Number:
AG002735
Chemical Name:
Benzaldehyde, 4-(3-bromopropoxy)-
CAS Number:
17954-81-3
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
MDL Number:
MFCD08447768
IUPAC Name:
4-(3-bromopropoxy)benzaldehyde
InChI:
InChI=1S/C10H11BrO2/c11-6-1-7-13-10-4-2-9(8-12)3-5-10/h2-5,8H,1,6-7H2
InChI Key:
XQCCNZFHLCQXEP-UHFFFAOYSA-N
SMILES:
BrCCCOc1ccc(cc1)C=O
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.1g/mol
Monoisotopic Mass:
241.994g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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